N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide

C11H16N6O2S — CID 62142994

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C11H16N6O2S/c1-4-12-11-13-6-9(7-14-11)20(18,19)16-10-5-8(2)15-17(10)3/h5-7,16H,4H2,1-3H3,(H,12,13,14)
InChIKeyNNRVEACSPQWURA-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.75
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62142994) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62142994
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C11H16N6O2S/c1-4-12-11-13-6-9(7-14-11)20(18,19)16-10-5-8(2)15-17(10)3/h5-7,16H,4H2,1-3H3,(H,12,13,14)
InChIKeyNNRVEACSPQWURA-UHFFFAOYSA-N
XLogP0.75
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62142994) is N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2cc(C)nn2C)cn1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is NNRVEACSPQWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-4-12-11-13-6-9(7-14-11)20(18,19)16-10-5-8(2)15-17(10)3/h5-7,16H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62142994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).